QM/MM Studies of Monozinc β-Lactamase CphA Suggest That the Crystal Structure of an Enzyme-Intermediate Complex Represents a Minor Pathway

被引：56

作者：

Wu, Shanshan ^{[1
]}

Xu, Dingguo ^{[1
]}

Guo, Hua ^{[2
]}

机构：

[1] Sichuan Univ, MOE Key Lab Green Chem & Technol, Coll Chem, Chengdu 610064, Sichuan, Peoples R China

[2] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2010年 / 132卷 / 51期

基金：

美国国家卫生研究院;

关键词：

CATALYTIC MECHANISM; BINDING; QUANTUM; SIMULATIONS; DYNAMICS; SITES; IMIS; ION; L1;

D O I：

10.1021/ja104241g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

QM/MM studies of the hydrolysis of a beta-lactam antibiotic molecule (biapenem) catalyzed by a monozinc,beta-lactamase (CphA) have revealed the complete reaction mechanism and shown that an experimentally determined enzyme-intermediate complex is a stable intermediate or product in a minor pathway.

引用

页码：17986 / 17988

页数：3

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